ACCESSION: MSBNK-Kazusa-KZ000211
RECORD_TITLE: Glycine; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01510_P000095

CH$NAME: Glycine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂H₅NO₂
CH$EXACT_MASS: 75.03203
CH$SMILES: NCC(O)=O
CH$IUPAC: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
CH$LINK: CAS 56-40-6
CH$LINK: KEGG C00037
CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020667

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1321.7
AC$CHROMATOGRAPHY: RETENTION_TIME 582.463 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00dj-2900000000-0ef96bcf06ce475afcdd
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 2 2
  84 23 23
  85 15 15
  86 499 499
  87 72 72
  88 27 27
  89 5 5
  93 2 2
  95 4 4
  98 2 2
  99 8 8
  100 320 320
  101 80 80
  102 50 50
  103 32 32
  104 6 6
  105 9 9
  106 1 1
  112 1 1
  113 14 14
  114 11 11
  115 18 18
  116 27 27
  117 74 74
  118 14 14
  119 18 18
  120 1 1
  121 1 1
  128 1 1
  129 4 4
  130 55 55
  131 62 62
  132 18 18
  133 143 143
  134 23 23
  135 15 15
  136 2 2
  142 2 2
  143 1 1
  144 18 18
  145 5 5
  146 9 9
  147 372 372
  148 62 62
  149 33 33
  150 3 3
  151 1 1
  158 10 10
  159 3 3
  160 5 5
  161 1 1
  172 11 11
  173 4 4
  174 999 999
  175 182 182
  176 96 96
  177 19 19
  178 3 3
  179 1 1
  187 1 1
  188 11 11
  189 3 3
  190 3 3
  191 1 1
  192 1 1
  202 6 6
  203 1 1
  204 5 5
  205 1 1
  246 14 14
  247 3 3
  248 178 178
  249 46 46
  250 26 26
  251 5 5
  276 18 18
  277 2 2
  278 1 1
//